2,3,5-Trimethylpyrazine
Properties
- Molecular formula
- C7H10N2
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0844 Da
- Density
- 0.96–0.99 g/mL
- Melting point
- 156 °C
- Boiling point
- 171.5 °C
- logP
- 1.40Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor99.7% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H319 Causes serious eye irritation10.4% of notifiers
Aggregated from 1,880 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
14667-55-1SMILES
Cc1cnc(C)c(C)n1InChIKey
IAEGWXHKWJGQAZ-UHFFFAOYSA-NInChI
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Pyrazine, 2,3,5-trimethyl-
- Pyrazine, trimethyl-
- Trimethylpyrazine
- 2,3,6-Trimethylpyrazine
Work with 2,3,5-Trimethylpyrazine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,6-Dimethylpyrazin-2-amine13134-38-860 % similar
2-Chloro-3,5-dimethylpyrazine38557-72-160 % similar
2-Amino-3,5-dimethylpyrazine91678-81-860 % similar
3-Chloro-2,5-dimethylpyrazine95-89-660 % similar
2-Ethyl-3,5-dimethylpyrazine13925-07-056 % similar
2,5-Dimethylpyrazine123-32-050 % similar
2,3-Dimethyl-5-ethylpyrazine15707-34-350 % similar
2-Acetyl-3,5-dimethylpyrazine54300-08-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.